N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide

C14H20N2O4 — CID 103028884

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C14H20N2O4/c1-14(2,19-3)13(18)16-10-6-4-5-7-11(10)20-9-8-12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyYEBJWUPHCHHARR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.30
Rot. Bonds7

About N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103028884) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103028884
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C14H20N2O4/c1-14(2,19-3)13(18)16-10-6-4-5-7-11(10)20-9-8-12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyYEBJWUPHCHHARR-UHFFFAOYSA-N
XLogP1.30
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
CID 115452598
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
CID 75385127
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide (CID 103028884) is N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is YEBJWUPHCHHARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,19-3)13(18)16-10-6-4-5-7-11(10)20-9-8-12(15)17/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 280.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).